Input 12-electronic_subsystem_propagators.03-aetrs.inp

Commits > Commit eddb1a976bbe1f1b2f6bb64793dd776e6572a2b5 > Run intel-serial: [intel2023a-serial]

Matches

Name Value Reference Precision Difference Status
Energy [step 0] -1.060686608766759e+01 -1.060686608766760e+01 1.060000000000000e-13 8.881784197001252e-15 PASS
Energy [step 20] -1.060637197121569e+01 -1.060637197121568e+01 1.060000000000000e-13 -5.329070518200751e-15 PASS
Multipoles [step 0] 2.971829081649738e-15 0.000000000000000e+00 5.000000000000000e-15 2.971829081649738e-15 PASS
Multipoles [step 20] -1.265533510651987e-01 -1.265533510652042e-01 5.070000000000000e-15 5.551115123125783e-15 FAIL
Compare to other inputs